5-methyl-5-(methylideneamino)azepin-2-amine

C8H11N3 — CID 147717169

IUPAC5-methyl-5-(methylideneamino)azepin-2-amine
SMILESC=NC1(C)C=CN=C(N)C=C1
InChIInChI=1S/C8H11N3/c1-8(10-2)4-3-7(9)11-6-5-8/h3-6H,2H2,1H3,(H2,9,11)
InChIKeyGVVSOFJLWKUHRZ-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.89
Rot. Bonds1

About 5-methyl-5-(methylideneamino)azepin-2-amine

5-methyl-5-(methylideneamino)azepin-2-amine (PubChem CID 147717169) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-methyl-5-(methylideneamino)azepin-2-amine.

Molecular Properties

Compound Name5-methyl-5-(methylideneamino)azepin-2-amine
PubChem CID147717169
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-methyl-5-(methylideneamino)azepin-2-amine
SMILESC=NC1(C)C=CN=C(N)C=C1
InChIInChI=1S/C8H11N3/c1-8(10-2)4-3-7(9)11-6-5-8/h3-6H,2H2,1H3,(H2,9,11)
InChIKeyGVVSOFJLWKUHRZ-UHFFFAOYSA-N
XLogP0.89
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4H-azepin-7-amine
CID 54474925
4-Methylazepin-4-amine
CID 69476902
4-methyl-4H-azepin-7-amine
CID 89012973
5,5-Dimethylazepin-2-amine
CID 123272233
2-N,2-N,5-trimethylazepine-2,5-diamine
CID 123646662
5-methyl-4H-azepin-7-amine
CID 123759208
(Z)-N'-ethenylpent-2-enimidamide
CID 138668029
(E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide
CID 142336950
2,5-Dimethyl-1,3-diazepin-5-amine
CID 143013600
6-Methylpyrido[2,3-b]azepin-6-amine
CID 143260188
(Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide
CID 146272291
5,5-Dimethylazepine-2,3-diamine
CID 146363123

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(methylideneamino)azepin-2-amine?
The IUPAC name of 5-methyl-5-(methylideneamino)azepin-2-amine (CID 147717169) is 5-methyl-5-(methylideneamino)azepin-2-amine.
What is the SMILES notation for 5-methyl-5-(methylideneamino)azepin-2-amine?
The canonical SMILES for 5-methyl-5-(methylideneamino)azepin-2-amine is C=NC1(C)C=CN=C(N)C=C1.
What is the InChIKey of 5-methyl-5-(methylideneamino)azepin-2-amine?
The InChIKey is GVVSOFJLWKUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-8(10-2)4-3-7(9)11-6-5-8/h3-6H,2H2,1H3,(H2,9,11).
What are the key properties of 5-methyl-5-(methylideneamino)azepin-2-amine?
5-methyl-5-(methylideneamino)azepin-2-amine has a molecular weight of 149.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(methylideneamino)azepin-2-amine is sourced from PubChem (CID 147717169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).